Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.0903   -0.5300   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943    0.1550   -0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1103    0.8195    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8441    0.2674   -0.1327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3231    0.6278    0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3093    1.4905    1.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770   -0.0249    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7771    0.4654    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004   -1.5206    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    0.1824   -1.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618   -0.5881    0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470   -1.0419   -0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944    0.2328   -1.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322    0.6021    1.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0686    1.8875   -0.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015    0.2345    1.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6692   -0.0062    0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    1.5567    0.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2884   -1.6061    1.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4019   -1.7788   -0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049   -2.1231   -0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6252    1.2583   -1.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -0.3378   -1.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7085   -0.2223   -1.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers